3-[[5-(4-methylsulfonylphenyl)-1-phenyl-pyrazol-3-yl]methoxy]propyl nitrate

Systemtic Name: 3-[[5-(4-methylsulfonylphenyl)-1-phenyl-pyrazol-3-yl]methoxy]propyl nitrate Openeye Name: 3-[[5-(4-methylsulfonylphenyl)-1-phenyl-pyrazol-3-yl]methoxy]propyl nitrate CAS Name: nitric acid 3-[[5-(4-methylsulfonylphenyl)-1-phenyl-3-pyrazolyl]methoxy]propyl ester IUPAC Name: 3-[[5-(4-methylsulfonylphenyl)-1-phenylpyrazol-3-yl]methoxy]propyl nitrate Traditional Name: nitric acid 3-[[5-(4-mesylphenyl)-1-phenyl-pyrazol-3-yl]methoxy]propyl ester Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3=CC=CC=C3)COCCCO[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3=CC=CC=C3)COCCCO[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6S/c1-30(26,27)19-10-8-16(9-11-19)20-14-17(15-28-12-5-13-29-23(24)25)21-22(20)18-6-3-2-4-7-18/h2-4,6-11,14H,5,12-13,15H2,1H3